9R,15S-dihydroxy-13E-prostaenoic acid
Basic information
- CAS
37785-99-2- Standard SMILES
CCCCC[C@H](O)/C=C/[C@H]1CC[C@@H](O)[C@@H]1CCCCCCC(=O)O- InChIKey
HYBPXYQCXNOTFK-JLNUFZAQSA-N- Molecular formula
- C20H36O4
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.26135963
Overview
11-deoxy-PGF1beta is a prostanoid.
Names & identifiers
- Preferred name
- 9R,15S-dihydroxy-13E-prostaenoic acid
- IUPAC
- 7-[(1R,2R,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoic acid
- English name
- 11-Deoxy prostaglandin F1BeTa
- Molecular formula
- C20H36O4
- Molecular weight
- 340.5
Names & synonyms
37785-99-29R,15S-dihydroxy-13E-prostaenoic acid11-Deoxy prostaglandin F1beta11-deoxy-PGF1b7-[(1R,2R,5R)-2-hydroxy-5-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]heptanoic acid11-deoxy-Prostaglandin F1b11-deoxy Prostaglandin F1??orb1693454SCHEMBL31083359(9Beta,13e,15s)-9,15-dihydroxyprost-13-en-1-oic acidCHEBI:168703DTXSID001210018
Show more names
11-deoxy Prostaglandin F1β9BETA-11-DEOXY PGF1ALPHAHYBPXYQCXNOTFK-JLNUFZAQSA-N9BETA,15S-DIHYDROXY-PROST-13E-EN-1-OIC ACIDProst-13-en-1-oic acid, 9,15-dihydroxy-, (9β,13E,15S)- (9CI)
HMS3648L15LMFA03010070MFCD00797650AKOS040755455PD021109DB-215101HY-169472T36772
Database identifiers
- CAS
37785-99-2- PubChem CID
- 5283071
- DTXSID
DTXSID001210018
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 367
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Prostaglandins [FA0301]
Physicochemical properties
- Boiling point
- 507.2 · 507.2±40.0 °C(Predicted)
- Density
- 1.075 · 1.075±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 50 mg/ml · DMF: >50 mg/ml (from PGF1a); DMSO: >50 mg/ml (from PGF1a); Ethanol: >75 mg/ml (from PGF1a); PBS pH 7.2: >2 mg/ml (from PGF1a)
- form
- A crystalline solid
- pka
- 4.78 · 4.78±0.10(Predicted)
Chemistry & industry
Applications
Uses11-Deoxy prostaglandin F1β is a synthetic analog of PGF1β. 11-Deoxy prostaglandin F1β exhibits vasodepressor and bronchodilator activities in guinea pigs[1].
Additional notes
DefinitionChEBI: 11-deoxy-PGF1b is a prostanoid.
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Compound notes
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